==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-NOV-10 2L5H . COMPND 2 MOLECULE: PHOSPHOENOLPYRUVATE-PROTEIN PHOSPHOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.D.TAKAYAMA,C.D.SCHWIETERS,A.GRISHAEV,R.GUIRLANDO,G.CLORE . 1146 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55091.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 856 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 102 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 64 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 126 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 478 41.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 8 2 0 0 8 0 0 0 2 8 2 2 2 0 0 2 2 2 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 0 4 6 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M 0 0 216 0, 0.0 2,-0.5 0, 0.0 225,-0.1 0.000 360.0 360.0 360.0 73.7 -62.4 -21.2 20.5 2 2 A I - 0 0 67 225,-0.2 2,-0.4 223,-0.0 225,-0.2 -0.899 360.0-178.1-108.0 130.0 -59.8 -19.3 18.4 3 3 A S + 0 0 88 -2,-0.5 2,-0.1 202,-0.2 223,-0.1 -0.978 5.2 175.4-130.0 141.9 -57.4 -21.2 16.1 4 4 A G - 0 0 22 -2,-0.4 201,-0.1 221,-0.1 178,-0.1 -0.393 48.3 -89.4-123.5-159.7 -54.5 -20.0 13.8 5 5 A I - 0 0 89 -2,-0.1 197,-0.1 180,-0.0 181,-0.0 0.612 50.3-139.7 -95.0 -12.2 -51.9 -21.9 11.7 6 6 A L - 0 0 43 1,-0.1 196,-0.2 2,-0.0 -3,-0.0 0.867 18.6-169.1 53.6 103.8 -49.3 -22.1 14.4 7 7 A A S S+ 0 0 8 194,-2.4 195,-0.2 1,-0.3 -1,-0.1 0.741 73.8 24.9 -95.6 -25.3 -45.9 -21.4 12.8 8 8 A S B S-A 201 0A 8 193,-1.4 193,-1.2 190,-0.1 -1,-0.3 -0.978 77.4-135.0-141.9 126.4 -43.7 -22.6 15.8 9 9 A P + 0 0 96 0, 0.0 2,-0.3 0, 0.0 214,-0.2 -0.552 56.9 88.3 -80.1 142.7 -44.7 -25.1 18.6 10 10 A G - 0 0 4 212,-0.7 2,-0.3 211,-0.4 189,-0.1 -0.979 64.8 -97.2 163.3-160.8 -44.0 -24.2 22.2 11 11 A I + 0 0 24 -2,-0.3 2,-0.3 232,-0.1 210,-0.2 -0.995 31.9 175.6-149.4 150.2 -45.6 -22.3 25.2 12 12 A A E -B 220 0A 10 208,-1.7 208,-2.3 -2,-0.3 2,-0.4 -0.999 16.7-157.0-156.3 154.7 -45.2 -18.8 26.6 13 13 A F E +B 219 0A 24 -2,-0.3 2,-0.3 206,-0.2 206,-0.2 -0.990 40.9 105.8-133.7 126.9 -46.6 -16.5 29.3 14 14 A G E -B 218 0A 10 204,-1.7 204,-2.3 -2,-0.4 142,-0.1 -0.994 64.6 -64.0-180.0 178.7 -46.4 -12.6 29.2 15 15 A K E -B 217 0A 97 140,-0.5 142,-4.0 -2,-0.3 2,-0.5 -0.390 50.2-117.0 -79.8 159.8 -48.2 -9.3 28.6 16 16 A A E -Bc 216 157A 2 200,-2.1 199,-2.1 197,-0.2 200,-0.7 -0.867 19.9-155.8-104.7 129.0 -49.7 -8.5 25.1 17 17 A L E - c 0 158A 37 140,-2.4 142,-1.7 -2,-0.5 2,-0.5 -0.837 8.0-157.1-100.9 134.7 -48.4 -5.5 23.1 18 18 A L E - c 0 159A 30 -2,-0.4 2,-1.0 140,-0.1 142,-0.2 -0.939 7.9-146.4-117.1 122.4 -50.9 -4.0 20.5 19 19 A L - 0 0 33 140,-1.3 2,-0.4 -2,-0.5 142,-0.3 -0.716 20.9-171.8 -87.7 103.5 -49.5 -2.0 17.5 20 20 A K + 0 0 154 -2,-1.0 2,-0.3 140,-0.1 127,-0.1 -0.816 6.6 179.5 -98.3 133.8 -52.1 0.7 16.7 21 21 A E - 0 0 81 -2,-0.4 2,-0.7 126,-0.0 -2,-0.0 -0.901 31.2-116.5-131.8 161.2 -51.7 2.8 13.5 22 22 A D - 0 0 69 -2,-0.3 3,-0.1 1,-0.1 122,-0.0 -0.868 45.6-104.8 -99.0 114.0 -53.5 5.6 11.8 23 23 A E - 0 0 169 -2,-0.7 2,-0.6 1,-0.1 -1,-0.1 -0.046 38.9-110.7 -39.4 128.4 -54.8 4.5 8.4 24 24 A I - 0 0 48 1,-0.0 2,-0.4 2,-0.0 -1,-0.1 -0.543 34.3-152.5 -70.8 112.4 -52.6 6.0 5.7 25 25 A V - 0 0 100 -2,-0.6 2,-0.5 -3,-0.1 -1,-0.0 -0.731 6.8-160.5 -90.3 131.8 -54.7 8.6 3.9 26 26 A I - 0 0 46 -2,-0.4 2,-0.6 76,-0.0 -2,-0.0 -0.953 8.7-144.5-116.9 125.2 -53.8 9.4 0.3 27 27 A D - 0 0 81 -2,-0.5 72,-0.2 1,-0.1 75,-0.2 -0.772 11.4-172.6 -90.5 120.4 -54.9 12.6 -1.4 28 28 A R + 0 0 191 -2,-0.6 2,-0.5 70,-0.1 -1,-0.1 0.213 43.5 129.8 -93.7 14.6 -55.8 12.1 -5.1 29 29 A K - 0 0 164 1,-0.1 -2,-0.1 69,-0.0 70,-0.0 -0.588 62.4-122.3 -74.3 119.3 -56.1 15.9 -5.5 30 30 A K - 0 0 185 -2,-0.5 2,-0.3 68,-0.1 68,-0.2 -0.267 25.0-133.5 -60.2 145.5 -54.1 17.1 -8.5 31 31 A I - 0 0 14 66,-2.1 -1,-0.1 62,-0.1 2,-0.1 -0.756 13.7-120.1-104.1 151.2 -51.5 19.7 -7.8 32 32 A S > - 0 0 66 -2,-0.3 4,-0.6 1,-0.1 3,-0.3 -0.284 31.9-101.5 -81.0 170.6 -50.8 22.9 -9.8 33 33 A A H >> S+ 0 0 73 1,-0.2 3,-2.2 2,-0.2 4,-0.9 0.950 124.0 54.7 -59.5 -49.2 -47.5 23.7 -11.5 34 34 A D H 3> S+ 0 0 138 1,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.856 108.4 51.9 -54.4 -30.2 -46.5 26.1 -8.7 35 35 A Q H 3> S+ 0 0 87 -3,-0.3 4,-2.6 1,-0.2 -1,-0.3 0.622 91.9 76.8 -82.6 -10.5 -47.0 23.1 -6.4 36 36 A V H X S+ 0 0 113 -4,-1.3 4,-2.5 -3,-0.3 3,-1.1 0.995 110.4 47.8 -64.0 -73.1 -35.7 12.0 7.3 50 50 A A H 3X S+ 0 0 1 -4,-1.4 4,-2.9 1,-0.3 5,-0.4 0.814 106.5 63.0 -38.4 -33.8 -36.2 8.3 6.4 51 51 A S H 3X S+ 0 0 60 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.3 0.987 113.0 31.8 -58.4 -56.1 -32.6 8.5 5.0 52 52 A A H S+ 0 0 2 -4,-1.9 5,-2.6 3,-0.2 4,-2.1 0.934 108.8 51.0 -65.2 -43.8 -29.5 -4.5 13.6 62 62 A G H <5S+ 0 0 18 -4,-2.2 -2,-0.2 3,-0.2 -1,-0.2 0.963 119.3 34.8 -60.3 -51.4 -25.7 -4.9 13.4 63 63 A E H <5S+ 0 0 174 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.936 125.2 43.2 -69.9 -45.2 -25.1 -4.6 17.2 64 64 A T H <5S+ 0 0 86 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.992 139.1 1.3 -65.8 -63.2 -28.4 -6.5 18.1 65 65 A F T <5S- 0 0 81 -4,-2.1 2,-0.3 -5,-0.4 -3,-0.2 0.887 104.2-117.5 -96.5 -48.5 -28.4 -9.4 15.6 66 66 A G >>< - 0 0 14 -5,-2.6 4,-1.6 1,-0.1 3,-0.6 -0.922 45.8 -44.9 142.0-168.8 -25.1 -9.0 13.6 67 67 A E H 3> S+ 0 0 77 -2,-0.3 4,-1.8 1,-0.2 5,-0.2 0.780 123.3 70.4 -70.1 -24.7 -23.8 -8.4 10.0 68 68 A E H 34 S+ 0 0 42 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.884 112.4 28.4 -60.9 -36.5 -26.4 -11.0 8.7 69 69 A K H <> S+ 0 0 25 -3,-0.6 4,-1.0 -8,-0.2 -1,-0.2 0.671 112.5 67.2 -97.7 -21.0 -29.2 -8.5 9.5 70 70 A E H X S+ 0 0 35 -4,-1.6 4,-1.2 -9,-0.3 3,-0.4 0.925 99.1 50.1 -67.2 -43.4 -27.2 -5.3 9.0 71 71 A A H X S+ 0 0 41 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.825 98.1 67.2 -68.3 -28.4 -26.7 -5.7 5.3 72 72 A I H > S+ 0 0 63 -4,-0.3 4,-2.0 -5,-0.2 -1,-0.2 0.938 101.3 49.5 -59.3 -39.6 -30.4 -6.4 4.6 73 73 A F H X S+ 0 0 11 -4,-1.0 4,-3.4 -3,-0.4 5,-0.3 0.914 105.4 56.9 -65.4 -38.9 -31.0 -2.7 5.6 74 74 A E H X S+ 0 0 109 -4,-1.2 4,-3.9 1,-0.2 5,-0.3 0.930 106.6 49.9 -59.7 -40.2 -28.3 -1.5 3.3 75 75 A G H X S+ 0 0 27 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 0.963 113.1 45.7 -62.8 -48.0 -30.1 -3.2 0.4 76 76 A H H X S+ 0 0 15 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.947 118.6 42.6 -60.9 -45.5 -33.4 -1.6 1.3 77 77 A I H X S+ 0 0 43 -4,-3.4 4,-2.1 2,-0.2 -2,-0.2 0.952 115.2 49.2 -66.6 -47.0 -31.7 1.8 1.8 78 78 A M H < S+ 0 0 128 -4,-3.9 -2,-0.2 -5,-0.3 -1,-0.2 0.919 111.9 49.6 -60.1 -40.1 -29.6 1.3 -1.4 79 79 A L H >< S+ 0 0 55 -4,-3.1 3,-1.3 -5,-0.3 -1,-0.2 0.915 108.4 53.2 -65.6 -40.1 -32.7 0.4 -3.4 80 80 A L H 3< S+ 0 0 10 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.903 109.7 47.4 -63.2 -39.3 -34.6 3.4 -2.0 81 81 A E T 3< S+ 0 0 120 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.409 81.7 139.8 -82.8 5.7 -31.8 5.7 -3.2 82 82 A D X> - 0 0 45 -3,-1.3 4,-1.5 -4,-0.2 3,-1.0 -0.237 59.5-132.3 -50.7 130.0 -31.7 4.0 -6.6 83 83 A E H 3> S+ 0 0 154 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.751 105.2 65.2 -60.5 -19.3 -31.3 6.7 -9.2 84 84 A E H 3> S+ 0 0 125 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.894 100.9 48.6 -71.4 -35.5 -34.2 5.1 -11.1 85 85 A L H <> S+ 0 0 9 -3,-1.0 4,-3.0 -6,-0.2 5,-0.4 0.905 107.9 54.4 -70.1 -40.1 -36.6 6.0 -8.3 86 86 A E H X S+ 0 0 70 -4,-1.5 4,-1.8 1,-0.2 5,-0.2 0.954 115.0 38.9 -60.6 -48.5 -35.4 9.6 -8.1 87 87 A Q H X S+ 0 0 117 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.910 119.5 46.9 -69.7 -41.0 -36.1 10.2 -11.8 88 88 A E H X S+ 0 0 87 -4,-2.2 4,-1.7 -5,-0.2 5,-0.2 0.911 113.9 46.4 -70.2 -40.0 -39.3 8.2 -11.9 89 89 A I H X S+ 0 0 13 -4,-3.0 4,-1.6 -5,-0.2 5,-0.2 0.953 118.3 42.4 -67.6 -45.7 -40.8 9.7 -8.7 90 90 A I H X S+ 0 0 68 -4,-1.8 4,-3.0 -5,-0.4 5,-0.3 0.889 110.3 57.5 -67.9 -39.2 -40.0 13.3 -9.9 91 91 A A H X>S+ 0 0 35 -4,-2.3 4,-4.6 -5,-0.2 5,-0.5 0.947 106.5 47.5 -60.2 -47.7 -41.1 12.6 -13.5 92 92 A L H X>S+ 0 0 39 -4,-1.7 4,-2.6 3,-0.2 6,-0.8 0.952 115.0 45.9 -60.9 -46.1 -44.6 11.6 -12.5 93 93 A I H X5S+ 0 0 1 -4,-1.6 4,-0.9 4,-0.2 -2,-0.2 0.967 121.8 37.9 -61.1 -49.3 -45.0 14.7 -10.2 94 94 A K H <5S+ 0 0 122 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.914 129.3 33.2 -69.4 -41.9 -43.5 16.9 -12.9 95 95 A D H <5S+ 0 0 116 -4,-4.6 -3,-0.2 -5,-0.3 -2,-0.2 0.940 132.6 27.2 -81.9 -51.0 -45.2 15.2 -15.8 96 96 A K H < - 0 0 17 -72,-0.2 4,-3.3 -2,-0.1 5,-0.3 -0.428 29.0-120.1 -81.1 159.7 -48.8 14.3 -5.3 100 100 A A H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.914 114.1 47.0 -68.0 -40.2 -45.5 12.9 -3.9 101 101 A D H > S+ 0 0 18 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.892 120.2 39.4 -70.6 -34.3 -47.3 10.4 -1.6 102 102 A A H > S+ 0 0 20 -75,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.900 121.0 43.5 -80.5 -40.5 -49.6 9.3 -4.5 103 103 A A H X S+ 0 0 2 -4,-3.3 4,-1.5 2,-0.2 -3,-0.2 0.944 114.8 48.5 -70.1 -46.2 -46.8 9.4 -7.1 104 104 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.3 5,-0.4 0.901 107.1 57.6 -61.4 -38.9 -44.2 7.7 -4.9 105 105 A H H X S+ 0 0 53 -4,-1.1 4,-2.5 -5,-0.3 5,-0.3 0.912 103.8 52.7 -59.9 -40.0 -46.7 5.0 -4.0 106 106 A E H X S+ 0 0 120 -4,-1.3 4,-2.8 3,-0.2 -1,-0.2 0.901 107.5 52.0 -63.9 -40.2 -47.2 4.1 -7.6 107 107 A V H X S+ 0 0 41 -4,-1.5 4,-1.9 2,-0.2 5,-0.2 0.978 118.1 34.0 -63.6 -54.5 -43.4 3.7 -8.2 108 108 A I H X S+ 0 0 13 -4,-1.9 4,-2.4 1,-0.2 5,-0.3 0.927 122.8 47.9 -68.6 -40.8 -42.7 1.3 -5.3 109 109 A E H X S+ 0 0 49 -4,-2.5 4,-3.4 -5,-0.4 5,-0.3 0.911 107.5 58.0 -65.0 -39.4 -46.1 -0.4 -5.7 110 110 A G H X S+ 0 0 33 -4,-2.8 4,-1.8 -5,-0.3 -2,-0.2 0.952 111.7 39.3 -57.8 -49.4 -45.5 -0.7 -9.5 111 111 A Q H X S+ 0 0 97 -4,-1.9 4,-2.1 2,-0.2 3,-0.3 0.983 118.5 46.7 -67.1 -52.8 -42.3 -2.7 -9.0 112 112 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.3 -2,-0.2 0.917 109.8 56.2 -54.9 -40.6 -43.7 -4.8 -6.1 113 113 A S H X S+ 0 0 67 -4,-3.4 4,-1.4 -5,-0.3 -1,-0.3 0.924 105.6 50.9 -59.6 -40.3 -46.8 -5.3 -8.2 114 114 A A H < S+ 0 0 55 -4,-1.8 4,-0.4 -3,-0.3 -1,-0.2 0.917 107.7 53.3 -63.8 -39.7 -44.6 -6.7 -11.0 115 115 A L H >< S+ 0 0 40 -4,-2.1 3,-1.9 1,-0.2 -1,-0.2 0.913 102.8 57.0 -63.6 -40.1 -43.0 -9.1 -8.5 116 116 A E H 3< S+ 0 0 65 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.895 93.1 68.2 -59.9 -35.4 -46.4 -10.5 -7.3 117 117 A E T 3< S+ 0 0 161 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.779 81.9 102.6 -55.5 -20.2 -47.2 -11.4 -10.9 118 118 A L S < S- 0 0 78 -3,-1.9 -3,-0.0 -4,-0.4 2,-0.0 -0.315 76.0-137.3 -63.2 147.4 -44.4 -14.0 -10.3 119 119 A D S S+ 0 0 168 4,-0.0 2,-0.4 5,-0.0 -1,-0.1 -0.154 72.0 98.3 -98.5 40.7 -45.6 -17.6 -9.7 120 120 A D > - 0 0 74 -4,-0.1 4,-1.8 1,-0.1 5,-0.1 -0.988 61.7-151.6-131.7 134.0 -43.1 -18.2 -6.8 121 121 A E H > S+ 0 0 88 -2,-0.4 4,-1.6 1,-0.2 -1,-0.1 0.829 100.3 54.8 -70.1 -30.1 -43.7 -18.0 -3.0 122 122 A Y H > S+ 0 0 150 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.905 110.7 43.1 -71.9 -40.0 -40.0 -17.2 -2.5 123 123 A L H > S+ 0 0 64 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.878 109.9 58.6 -74.0 -34.5 -40.0 -14.2 -4.9 124 124 A K H X S+ 0 0 68 -4,-1.8 4,-1.1 1,-0.2 -2,-0.2 0.919 101.6 53.9 -62.1 -42.0 -43.4 -13.0 -3.5 125 125 A E H >X S+ 0 0 14 -4,-1.6 4,-1.5 1,-0.2 3,-1.1 0.949 106.4 51.6 -60.5 -44.6 -42.0 -12.7 0.1 126 126 A R H 3X S+ 0 0 113 -4,-1.3 4,-2.2 1,-0.3 3,-0.3 0.917 103.4 58.9 -59.9 -36.1 -39.1 -10.4 -1.1 127 127 A A H 3X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -1,-0.3 0.834 100.8 57.9 -61.3 -26.0 -41.8 -8.3 -2.8 128 128 A A H S+ 0 0 24 -4,-1.1 4,-3.3 1,-0.2 5,-1.6 0.924 109.6 54.7 -67.4 -40.0 -45.6 7.8 6.8 140 140 A N H <5S+ 0 0 25 -4,-2.9 -2,-0.2 3,-0.2 -1,-0.2 0.889 109.0 46.6 -62.1 -38.0 -42.2 9.5 6.6 141 141 A I H <5S+ 0 0 32 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.944 119.0 40.6 -71.2 -43.5 -43.5 12.2 4.2 142 142 A L H <5S- 0 0 94 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.856 110.6-128.6 -71.0 -32.8 -46.6 12.8 6.3 143 143 A G T <5 - 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0 0 53 -5,-2.9 2,-0.3 -6,-0.2 -1,-0.3 -0.495 58.5-120.5-101.6-172.5 -9.4 -39.4 -2.6 498 498 A W E -n 448 0C 45 -51,-0.6 -49,-1.7 -2,-0.2 2,-0.5 -0.867 7.4-139.5-134.5 156.2 -12.5 -37.3 -3.3 499 499 A T E -n 449 0C 0 -2,-0.3 22,-2.5 20,-0.2 23,-1.1 -0.969 16.9-176.1-119.7 134.0 -13.6 -34.6 -5.6 500 500 A G E -no 450 522C 0 -51,-3.6 -49,-2.7 -2,-0.5 2,-0.3 -0.486 16.7-136.2-109.0-178.8 -15.7 -31.6 -4.6 501 501 A M E +no 451 523C 0 21,-1.2 23,-3.3 -51,-0.3 -49,-0.1 -0.930 27.5 165.9-143.7 119.0 -17.0 -28.9 -6.8 502 502 A C + 0 0 9 -51,-0.8 -50,-0.2 -2,-0.3 24,-0.1 0.639 50.4 107.3-110.0 -9.1 -17.1 -25.2 -6.1 503 503 A G S >> S- 0 0 4 -52,-1.8 3,-1.6 1,-0.1 4,-0.5 -0.094 91.2 -99.1 -56.3 161.2 -17.9 -24.0 -9.6 504 504 A E G >4 S+ 0 0 120 1,-0.3 3,-0.5 2,-0.2 4,-0.2 0.691 115.9 76.4 -65.7 -18.1 -21.4 -22.8 -10.1 505 505 A L G >4 S+ 0 0 7 1,-0.2 3,-1.7 2,-0.2 6,-0.3 0.856 86.0 62.6 -55.5 -39.5 -22.5 -26.1 -11.6 506 506 A A G <4 S+ 0 0 2 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.886 109.7 40.8 -51.2 -43.2 -22.6 -27.5 -8.0 507 507 A G G << S+ 0 0 9 -3,-0.5 2,-0.7 -4,-0.5 -1,-0.3 0.327 91.6 107.6 -86.8 1.3 -25.3 -25.0 -7.2 508 508 A D X> - 0 0 51 -3,-1.7 3,-2.3 -4,-0.2 4,-1.0 -0.781 63.9-146.2 -90.7 114.1 -27.1 -25.5 -10.5 509 509 A E T 34 S+ 0 0 87 -2,-0.7 4,-0.3 1,-0.3 -1,-0.1 0.570 96.4 59.1 -46.9 -20.0 -30.5 -27.4 -10.1 510 510 A R T 34 S+ 0 0 112 1,-0.1 -1,-0.3 2,-0.1 4,-0.2 0.616 107.4 41.0 -95.2 -13.9 -30.0 -28.9 -13.6 511 511 A A T <> S+ 0 0 5 -3,-2.3 4,-3.6 -6,-0.3 5,-0.4 0.509 86.6 95.1-102.9 -16.6 -26.7 -30.6 -12.9 512 512 A T H X S+ 0 0 4 -4,-1.0 4,-3.0 1,-0.2 5,-0.2 0.923 87.4 44.7 -49.7 -50.9 -27.5 -31.9 -9.4 513 513 A L H > S+ 0 0 6 -4,-0.3 4,-2.6 2,-0.2 36,-0.3 0.870 118.7 44.8 -59.9 -36.3 -28.6 -35.4 -10.6 514 514 A L H > S+ 0 0 4 2,-0.2 4,-2.9 -4,-0.2 5,-0.2 0.970 112.4 48.8 -72.6 -51.3 -25.7 -35.7 -12.9 515 515 A L H <>S+ 0 0 12 -4,-3.6 5,-2.0 1,-0.2 4,-0.4 0.943 117.1 45.2 -51.0 -49.1 -23.1 -34.4 -10.5 516 516 A L H ><5S+ 0 0 7 -4,-3.0 3,-1.4 -5,-0.4 -1,-0.2 0.920 113.3 47.8 -58.2 -51.1 -24.6 -36.9 -8.0 517 517 A G H 3<5S+ 0 0 4 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.793 106.4 58.6 -63.3 -30.6 -24.7 -39.8 -10.5 518 518 A M T 3<5S- 0 0 10 -4,-2.9 -1,-0.3 -5,-0.1 -2,-0.2 0.571 120.6-110.5 -80.8 -2.9 -21.2 -39.1 -11.6 519 519 A G T < 5 + 0 0 13 -3,-1.4 -20,-0.2 -4,-0.4 -3,-0.2 0.560 49.6 174.5 88.8 13.3 -20.1 -39.6 -7.9 520 520 A L < - 0 0 5 -5,-2.0 -1,-0.2 -6,-0.2 -20,-0.2 -0.214 17.2-158.2 -52.6 134.5 -19.1 -36.1 -7.0 521 521 A D + 0 0 45 -22,-2.5 -251,-2.3 1,-0.3 2,-0.4 0.644 67.2 28.1 -90.3 -29.8 -18.3 -36.2 -3.2 522 522 A E E -ho 270 500C 6 -23,-1.1 -21,-1.2 -253,-0.2 2,-0.4 -0.987 57.5-162.4-145.1 134.6 -18.7 -32.6 -2.4 523 523 A F E -ho 271 501C 14 -253,-2.5 -251,-2.8 -2,-0.4 2,-0.4 -0.952 10.6-176.3-116.5 135.6 -20.7 -29.7 -3.6 524 524 A S E +h 272 0C 0 -23,-3.3 2,-0.3 -2,-0.4 -251,-0.3 -0.993 18.7 139.3-135.8 133.2 -19.9 -26.1 -2.7 525 525 A M E -h 273 0C 5 -253,-2.4 -251,-1.6 -2,-0.4 -232,-0.1 -0.984 58.1 -49.1-150.0 176.1 -21.9 -23.1 -3.7 526 526 A S > - 0 0 74 -2,-0.3 3,-2.2 -253,-0.2 4,-0.4 -0.241 60.1-120.1 -48.2 134.7 -23.3 -19.8 -2.8 527 527 A A G > S+ 0 0 16 -253,-0.4 3,-2.6 1,-0.3 -1,-0.2 0.888 110.2 66.9 -50.1 -45.4 -25.0 -20.5 0.5 528 528 A I G 3 S+ 0 0 109 1,-0.3 4,-0.4 2,-0.1 -1,-0.3 0.681 98.6 52.8 -53.8 -18.7 -28.4 -19.5 -1.0 529 529 A S G <> S+ 0 0 5 -3,-2.2 4,-1.9 1,-0.1 -1,-0.3 0.503 82.9 90.8 -94.0 -7.0 -28.3 -22.5 -3.2 530 530 A I H <> S+ 0 0 0 -3,-2.6 4,-3.1 -4,-0.4 5,-0.2 0.950 86.9 45.6 -58.4 -51.1 -27.7 -25.0 -0.5 531 531 A P H > S+ 0 0 58 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.886 110.5 52.5 -61.7 -38.9 -31.4 -25.8 0.2 532 532 A R H > S+ 0 0 105 -4,-0.4 4,-1.8 2,-0.2 -2,-0.2 0.927 117.0 39.6 -61.0 -44.1 -32.4 -26.2 -3.5 533 533 A I H X S+ 0 0 3 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.940 112.8 53.4 -73.1 -43.8 -29.7 -28.6 -4.1 534 534 A K H X S+ 0 0 47 -4,-3.1 4,-3.2 -5,-0.3 -2,-0.2 0.928 109.3 52.5 -50.9 -49.9 -30.1 -30.4 -0.7 535 535 A K H X S+ 0 0 126 -4,-2.8 4,-0.6 1,-0.3 -1,-0.2 0.910 109.3 47.2 -55.5 -45.8 -33.8 -30.8 -1.7 536 536 A I H < S+ 0 0 34 -4,-1.8 3,-0.3 1,-0.2 -1,-0.3 0.812 114.6 48.2 -62.5 -36.2 -33.0 -32.4 -5.0 537 537 A I H >< S+ 0 0 10 -4,-2.2 3,-1.2 1,-0.2 -273,-0.3 0.908 108.0 52.4 -73.6 -44.8 -30.5 -34.7 -3.3 538 538 A R H 3< S+ 0 0 153 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.582 113.2 46.0 -64.6 -16.3 -32.7 -35.7 -0.6 539 539 A N T 3< S+ 0 0 43 -4,-0.6 2,-0.3 -3,-0.3 -1,-0.2 0.272 96.2 88.8-114.9 9.1 -35.4 -36.7 -3.1 540 540 A T S < S- 0 0 4 -3,-1.2 -276,-1.6 -4,-0.2 -275,-0.5 -0.806 72.3-128.9-100.9 158.9 -33.3 -38.6 -5.7 541 541 A N > - 0 0 49 -2,-0.3 4,-1.9 -277,-0.2 -2,-0.1 -0.840 18.2-145.6 -99.7 128.1 -32.5 -42.2 -5.7 542 542 A F H > S+ 0 0 55 -2,-0.5 4,-2.3 1,-0.2 -1,-0.1 0.887 95.6 54.0 -63.2 -41.1 -28.7 -42.4 -6.2 543 543 A E H > S+ 0 0 131 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.891 107.7 51.2 -60.7 -38.7 -28.7 -45.6 -8.3 544 544 A D H > S+ 0 0 55 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.962 107.6 52.9 -64.4 -46.9 -31.1 -43.9 -10.7 545 545 A A H X S+ 0 0 0 -4,-1.9 4,-3.9 2,-0.2 5,-0.3 0.890 104.2 55.9 -52.4 -46.4 -28.9 -40.9 -11.0 546 546 A K H X S+ 0 0 100 -4,-2.3 4,-3.4 1,-0.2 5,-0.2 0.977 109.9 45.8 -51.8 -58.3 -25.8 -43.1 -11.8 547 547 A V H X S+ 0 0 80 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.880 114.2 49.7 -49.7 -42.1 -27.8 -44.5 -14.7 548 548 A L H X S+ 0 0 4 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.964 111.7 48.2 -61.6 -50.2 -28.8 -41.0 -15.6 549 549 A A H X S+ 0 0 2 -4,-3.9 4,-2.7 -36,-0.3 -2,-0.2 0.932 109.7 51.5 -59.4 -49.3 -25.2 -39.8 -15.5 550 550 A E H X S+ 0 0 140 -4,-3.4 4,-0.7 -5,-0.3 3,-0.3 0.967 110.9 47.2 -54.2 -53.5 -24.0 -42.5 -17.5 551 551 A Q H >X S+ 0 0 99 -4,-2.4 3,-2.5 1,-0.2 4,-0.7 0.944 110.8 52.8 -50.1 -51.4 -26.5 -41.9 -20.3 552 552 A A H >< S+ 0 0 1 -4,-2.7 3,-1.2 1,-0.3 -1,-0.2 0.853 101.8 60.1 -57.3 -38.2 -25.8 -38.2 -20.2 553 553 A L H 3< S+ 0 0 19 -4,-2.7 -1,-0.3 -3,-0.3 -2,-0.2 0.625 102.9 52.5 -67.0 -12.1 -22.1 -38.8 -20.7 554 554 A A H << S+ 0 0 60 -3,-2.5 -1,-0.3 -4,-0.7 -2,-0.2 0.596 83.4 105.9 -98.4 -13.9 -22.7 -40.6 -24.0 555 555 A Q << - 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0 0 5 -5,-2.0 -1,-0.2 -6,-0.2 -20,-0.2 -0.214 17.2-158.2 -52.6 134.5 -0.7 -38.5 -36.7 1095 521 B D + 0 0 46 -22,-2.5 -251,-2.3 1,-0.3 2,-0.4 0.645 67.2 28.1 -90.2 -29.9 -1.5 -38.9 -40.4 1096 522 B E E -wd 8441074F 5 -23,-1.1 -21,-1.2 -253,-0.2 2,-0.4 -0.988 57.5-162.4-145.1 134.7 -0.7 -35.5 -41.6 1097 523 B F E -wd 8451075F 14 -253,-2.5 -251,-2.8 -2,-0.4 2,-0.4 -0.952 10.5-176.4-116.5 135.6 1.7 -32.7 -40.6 1098 524 B S E +w 846 0F 0 -23,-3.3 2,-0.3 -2,-0.4 -251,-0.3 -0.993 18.8 139.3-135.8 133.2 1.3 -29.2 -41.8 1099 525 B M E -w 847 0F 3 -253,-2.4 -251,-1.6 -2,-0.4 -232,-0.1 -0.984 58.1 -49.1-150.1 176.1 3.7 -26.4 -41.1 1100 526 B S > - 0 0 72 -2,-0.3 3,-2.2 -253,-0.2 4,-0.4 -0.241 60.1-120.1 -48.2 134.7 5.5 -23.4 -42.2 1101 527 B A G > S+ 0 0 15 -253,-0.4 3,-2.6 1,-0.3 -1,-0.2 0.889 110.2 66.9 -50.1 -45.4 7.1 -24.5 -45.5 1102 528 B I G 3 S+ 0 0 110 1,-0.3 4,-0.4 2,-0.1 -1,-0.3 0.681 98.6 52.8 -53.8 -18.7 10.6 -23.9 -44.1 1103 529 B S G <> S+ 0 0 3 -3,-2.2 4,-1.9 1,-0.1 -1,-0.3 0.504 82.9 90.8 -94.0 -7.0 10.1 -26.6 -41.6 1104 530 B I H <> S+ 0 0 0 -3,-2.6 4,-3.1 -4,-0.4 5,-0.2 0.950 86.9 45.6 -58.4 -51.0 9.2 -29.2 -44.1 1105 531 B P H > S+ 0 0 61 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.886 110.5 52.6 -61.8 -38.9 12.7 -30.6 -44.7 1106 532 B R H > S+ 0 0 108 -4,-0.4 4,-1.8 2,-0.2 -2,-0.2 0.927 117.0 39.6 -61.0 -44.1 13.8 -30.8 -41.0 1107 533 B I H X S+ 0 0 3 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.940 112.8 53.4 -73.1 -43.8 10.8 -32.8 -40.2 1108 534 B K H X S+ 0 0 46 -4,-3.1 4,-3.2 -5,-0.3 -2,-0.2 0.928 109.3 52.5 -50.9 -49.9 10.9 -34.8 -43.4 1109 535 B K H X S+ 0 0 124 -4,-2.8 4,-0.6 1,-0.3 -1,-0.2 0.910 109.3 47.2 -55.5 -45.7 14.5 -35.7 -42.4 1110 536 B I H < S+ 0 0 35 -4,-1.8 3,-0.3 1,-0.2 -1,-0.3 0.811 114.6 48.2 -62.5 -36.2 13.5 -36.8 -38.9 1111 537 B I H >< S+ 0 0 10 -4,-2.2 3,-1.2 1,-0.2 -273,-0.3 0.908 108.0 52.5 -73.7 -44.8 10.7 -38.9 -40.4 1112 538 B R H 3< S+ 0 0 151 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.583 113.2 46.0 -64.6 -16.2 12.8 -40.5 -43.0 1113 539 B N T 3< S+ 0 0 42 -4,-0.6 2,-0.3 -3,-0.3 -1,-0.2 0.272 96.2 88.8-114.9 9.0 15.4 -41.6 -40.4 1114 540 B T S < S- 0 0 2 -3,-1.2 -276,-1.6 -4,-0.2 -275,-0.5 -0.808 72.3-128.9-100.9 158.9 13.1 -43.0 -37.7 1115 541 B N > - 0 0 49 -2,-0.3 4,-1.9 -277,-0.2 -2,-0.1 -0.838 18.2-145.6 -99.7 128.2 11.8 -46.4 -37.3 1116 542 B F H > S+ 0 0 53 -2,-0.5 4,-2.3 1,-0.2 -1,-0.1 0.888 95.6 54.0 -63.3 -41.1 8.0 -46.1 -36.9 1117 543 B E H > S+ 0 0 131 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.891 107.7 51.2 -60.7 -38.7 7.7 -49.0 -34.5 1118 544 B D H > S+ 0 0 57 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.962 107.6 52.9 -64.4 -47.0 10.2 -47.5 -32.2 1119 545 B A H X S+ 0 0 0 -4,-1.9 4,-3.9 2,-0.2 5,-0.3 0.890 104.2 55.9 -52.3 -46.5 8.4 -44.2 -32.2 1120 546 B K H X S+ 0 0 96 -4,-2.3 4,-3.4 1,-0.2 5,-0.2 0.977 109.9 45.8 -51.8 -58.4 5.1 -45.9 -31.2 1121 547 B V H X S+ 0 0 78 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.880 114.2 49.7 -49.6 -42.1 6.9 -47.3 -28.2 1122 548 B L H X S+ 0 0 6 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.964 111.7 48.1 -61.6 -50.3 8.4 -43.8 -27.6 1123 549 B A H X S+ 0 0 3 -4,-3.9 4,-2.7 -36,-0.3 -2,-0.2 0.931 109.7 51.5 -59.3 -49.4 5.0 -42.2 -27.9 1124 550 B E H X S+ 0 0 142 -4,-3.4 4,-0.7 -5,-0.3 3,-0.3 0.967 110.9 47.2 -54.2 -53.5 3.4 -44.6 -25.6 1125 551 B Q H >X S+ 0 0 102 -4,-2.4 3,-2.5 1,-0.2 4,-0.7 0.944 110.9 52.8 -50.1 -51.3 6.0 -44.1 -22.9 1126 552 B A H >< S+ 0 0 1 -4,-2.7 3,-1.2 1,-0.3 -1,-0.2 0.852 101.8 60.1 -57.4 -38.1 5.8 -40.3 -23.3 1127 553 B L H 3< S+ 0 0 19 -4,-2.7 -1,-0.3 -3,-0.3 -2,-0.2 0.624 102.9 52.5 -67.1 -12.1 2.0 -40.4 -22.8 1128 554 B A H << S+ 0 0 59 -3,-2.5 -1,-0.3 -4,-0.7 -2,-0.2 0.596 83.4 105.9 -98.4 -13.9 2.4 -41.9 -19.4 1129 555 B Q << - 0 0 43 -3,-1.2 -688,-0.1 -4,-0.7 6,-0.0 -0.404 56.6-156.5 -66.5 132.4 4.9 -39.3 -18.0 1130 556 B P S S+ 0 0 26 0, 0.0 -734,-0.6 0, 0.0 2,-0.4 0.438 77.4 55.3 -86.0 6.0 3.3 -36.9 -15.5 1131 557 B T S > S- 0 0 10 1,-0.2 4,-1.6 -735,-0.1 5,-0.1 -0.986 73.0-137.4-144.4 139.1 6.0 -34.4 -16.2 1132 558 B T H >> S+ 0 0 13 -2,-0.4 4,-3.2 2,-0.2 3,-0.6 0.962 107.2 55.2 -58.3 -52.5 7.4 -32.6 -19.4 1133 559 B D H 3> S+ 0 0 106 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.909 107.3 49.9 -48.3 -46.4 10.9 -33.1 -18.3 1134 560 B E H 3> S+ 0 0 76 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.836 112.1 47.5 -63.3 -34.9 10.4 -36.8 -18.0 1135 561 B L H